SCHEMBL8537884

SCHEMBL8537884

Cc1cc(C)cc(C(C(=O)O)=C(N)C(=O)c2cccc(NC3=NCCCS3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 6/20 0.46
MAPT P10636 4/20 0.46
MCL1 Q07820 2/20 0.46
RECQL P46063 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 4/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8543803 0.91 MAPT (0.47) SMN1; SMN2LMNAMAPTMCL1RECQL
SCHEMBL8538025 0.78 ITGB3 (0.49)
SCHEMBL23455576 0.78 KMT2A (0.54) SMN1; SMN2LMNAMAPTMCL1RECQL
SCHEMBL30073941 0.78 KMT2A (0.54) SMN1; SMN2LMNAMAPTMCL1RECQL
SCHEMBL8539600 0.76 MEN1 (0.44) SMN1; SMN2LMNARAB9ANPC1HPGD
SCHEMBL8542422 0.71 PARP1 (0.36) SMN1; SMN2MAPTATMTDP1RAB9A
SCHEMBL8541012 0.71 ITGB3 (0.55)
SCHEMBL8537881 0.70 SMN1; SMN2 (0.45) SMN1; SMN2LMNAMAPTMCL1RECQL
Hydrochloric Acid SCHEMBL8934656 0.68 HPGD (0.60) SMN1; SMN2RAB9ANPC1KDM4EHPGD
SCHEMBL7498952 0.67 ITGB3 (0.69) SMN1; SMN2LMNAMAPTMCL1RECQL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US claimed
US-5852210-A Cinnamic acid derivatives G. D. SEARLE & CO. (US) 1998-12-22 US disclosed